- InChI
- InChI=1S/C24H34O4/c1-15-8-10-21(12-17(15)3)27-23(25)19-6-5-7-20(14-19)24(26)28-22-11-9-16(2)18(4)13-22/h5-7,14-18,21-22H,8-13H2,1-4H3
- InChI Key
- KUNRZTCFBZTQPL-UHFFFAOYSA-N
- Formula
- C24H34O4
- SMILES
-
CC1CCC(OC(=O)c2cccc(C(=O)OC3CC
C(C)C(C)C3)c2)CC1C - Molecular Weight1
- 386.53
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -902.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.650 | Crippen Calculated Property | |
| McVol | 318.420 | ml/mol | McGowan Calculated Property |
| Pc | 1174.44 | kPa | Joback Calculated Property |
| Inp | [3090.00; 3090.00] |
|
|
| Inp | 3090.00 | NIST | |
| Inp | 3090.00 | NIST | |
| Tboil | 683.42 | K | Relay (1.0) Calculated Property |
| Tc | 935.35 | K | Relay (1.0) Calculated Property |
| Tfus | 341.21 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [425.40; 1148.95] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -9.51700e+01 | |||
| Coefficient B | 2.17408e+00 | |||
| Coefficient C | -9.97160e-04 | |||
| Coefficient D | 6.72000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 425.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 552.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 666.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 769.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 860.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 940.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1008.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1066.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1112.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1148.95 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009663; 0.0001119] | Pa×s | [481.64; 804.09] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.23188e+01 | |||
| Coefficient B | 2.58966e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 481.64 | |||
| Temperature range, max. | 804.09 | |||
| η | 0.0009663 | Pa×s | 481.64 | Calculated Property |
| η | 0.0006659 | Pa×s | 517.47 | Calculated Property |
| η | 0.0004816 | Pa×s | 553.30 | Calculated Property |
| η | 0.0003623 | Pa×s | 589.12 | Calculated Property |
| η | 0.0002816 | Pa×s | 624.95 | Calculated Property |
| η | 0.0002249 | Pa×s | 660.78 | Calculated Property |
| η | 0.0001839 | Pa×s | 696.61 | Calculated Property |
| η | 0.0001533 | Pa×s | 732.44 | Calculated Property |
| η | 0.0001300 | Pa×s | 768.26 | Calculated Property |
| η | 0.0001119 | Pa×s | 804.09 | Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, di(3,4-dimethylcyclohexyl) ester.
Sources
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